Details of the Drug

General Information of Drug (ID: DM9AFZ3)

Drug Name
CL-5343
Synonyms
5-Amino-1,3,4-thiadiazole-2-sulfonamide; 14949-00-9; Tio-urasin; CL 5343; UNII-F687N81LIZ; NSC 22979; 2-Amino-1,3,4-thiadiazole-5-sulfonamide; CHEMBL265674; F687N81LIZ; 1,3,4-Thiadiazole-2-sulfonamide, 5-amino-; 5-Amino-TDSNH2; PubChem15758; Acetazolamide Impurity D; AC1Q6UUX; 1,3,4-Thiadiazole-5-sulfonamide, 2-amino-; SCHEMBL282413; AC1L382D; CTK4C6227; BDBM10868; DTXSID10164324; MolPort-022-374-081; VGMVBPQOACUDRU-UHFFFAOYSA-N; NSC22979; ZINC16969869; NSC-22979; 1,3,4-thiadiazole-2-sulfonamide 15; aromatic/heteroaromatic; CL-5343; Carbonic anhydrase inhibitors, Universita degli Studi di Firenze; Sulfonamide CA inhibitors, Universita degli Studi di Firenze; Sulfonamide CA inhibitors, University of Florence; Carbonic anhydrase inhibitors (cancer/epilepsy/glaucoma/obesity); Carbonic anhydrase inhibitors (cancer/epilepsy/glaucoma/obesity), University of Florence/ULS; 5-amino-1,3,4-thiadiazole-2-sulfonamide
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 180.21
Logarithm of the Partition Coefficient (xlogp) -0.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C2H4N4O2S2
IUPAC Name
5-amino-1,3,4-thiadiazole-2-sulfonamide
Canonical SMILES
C1(=NN=C(S1)S(=O)(=O)N)N
InChI
InChI=1S/C2H4N4O2S2/c3-1-5-6-2(9-1)10(4,7)8/h(H2,3,5)(H2,4,7,8)
InChIKey
VGMVBPQOACUDRU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
84724
ChEBI ID
CHEMBL265674
CAS Number
14949-00-9
TTD ID
D0VD7H
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase (CA) TTUNARX NOUNIPROTAC Inhibitor [2]
Carbonic anhydrase I (CA-I) TTHQPL7 CAH1_HUMAN Inhibitor [1]
Carbonic anhydrase II (CA-II) TTANPDJ CAH2_HUMAN Inhibitor [3]
Carbonic anhydrase IV (CA-IV) TTZHA0O CAH4_HUMAN Inhibitor [2]
Carbonic anhydrase IX (CA-IX) TT2LVK8 CAH9_HUMAN Inhibitor [2]
Carbonic anhydrase VI (CA-VI) TTCFSPE CAH6_HUMAN Inhibitor [2]
Carbonic anhydrase XII (CA-XII) TTSYM0R CAH12_HUMAN Inhibitor [2]
Carbonic anhydrase XIV (CA-XIV) TTEYTKG CAH14_HUMAN Inhibitor [2]
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Molecular Expression Atlas of This Drug

The Studied Disease Solid tumour/cancer
ICD Disease Classification 2A00-2F9Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Carbonic anhydrase IV (CA-IV) DTT CA4 1.58E-77 -2.02 -1.77
Carbonic anhydrase XII (CA-XII) DTT CA12 3.29E-21 1.27 1.02
Carbonic anhydrase I (CA-I) DTT CA1 5.23E-14 -0.11 -0.41
Carbonic anhydrase XIV (CA-XIV) DTT CA14 5.79E-07 -0.09 -0.16
Carbonic anhydrase VI (CA-VI) DTT CA6 3.64E-10 -0.17 -0.37
Carbonic anhydrase II (CA-II) DTT CA2 7.95E-08 0.52 0.33
Carbonic anhydrase IX (CA-IX) DTT CA9 1.12E-10 -0.03 -0.09
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2597).
2 Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a l... Bioorg Med Chem Lett. 2010 Aug 1;20(15):4376-81.
3 Synthesis, characterization and antiglaucoma activity of some novel pyrazole derivatives of 5-amino-1,3,4-thiadiazole-2-sulfonamide. Eur J Med Chem. 2010 Nov;45(11):4769-73.